7-ethyl-1-(3-phenoxypropyl)-3-(phenylmethyl)purine-2,6-dione

Systemtic Name: 7-ethyl-1-(3-phenoxypropyl)-3-(phenylmethyl)purine-2,6-dione Openeye Name: 3-benzyl-7-ethyl-1-(3-phenoxypropyl)purine-2,6-dione CAS Name: 7-ethyl-1-(3-phenoxypropyl)-3-(phenylmethyl)purine-2,6-dione IUPAC Name: 3-benzyl-7-ethyl-1-(3-phenoxypropyl)purine-2,6-dione Traditional Name: 3-benzyl-7-ethyl-1-(3-phenoxypropyl)xanthine Formula: C23H24N4O3 MolecularWeight: 404.46166

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Descriptors Computed from Structure

Canonical SMILES:

CCN1C=NC2=C1C(=O)N(C(=O)N2CC3=CC=CC=C3)CCCOC4=CC=CC=C4

Isomeric SMILES

CCN1C=NC2=C1C(=O)N(C(=O)N2CC3=CC=CC=C3)CCCOC4=CC=CC=C4

InChI

InChI=1S/C23H24N4O3/c1-2-25-17-24-21-20(25)22(28)26(14-9-15-30-19-12-7-4-8-13-19)23(29)27(21)16-18-10-5-3-6-11-18/h3-8,10-13,17H,2,9,14-16H2,1H3